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6H7Y
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BU of 6h7y by Molmil
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a inhibitor RNA 1-79-1
分子名称: (2~{S})-2-[[(2~{S})-6-[(4-fluorophenyl)amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Motlova, L, Novakova, Z, Barinka, C.
登録日2018-07-31
公開日2018-12-05
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献2-Aminoadipic Acid-C(O)-Glutamate Based Prostate-Specific Membrane Antigen Ligands for Potential Use as Theranostics.
ACS Med Chem Lett, 9, 2018
6H6G
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BU of 6h6g by Molmil
Crystal Structure of TcdB2-TccC3 without hypervariable C-terminal region
分子名称: TcdB2,TccC3
著者Gatsogiannis, C, Merino, F, Roderer, D, Balchin, D, Schubert, E, Kuhlee, A, Hayer-Hartl, M, Raunser, S.
登録日2018-07-27
公開日2018-10-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.004 Å)
主引用文献Tc toxin activation requires unfolding and refolding of a beta-propeller.
Nature, 563, 2018
6H7Z
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BU of 6h7z by Molmil
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a inhibitor RNA 2-65-1
分子名称: (2~{S})-2-[[(2~{S})-6-[(6-fluoranylpyridin-3-yl)-methyl-amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Motlova, L, Novakova, Z, Barinka, C.
登録日2018-07-31
公開日2018-12-05
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献2-Aminoadipic Acid-C(O)-Glutamate Based Prostate-Specific Membrane Antigen Ligands for Potential Use as Theranostics.
ACS Med Chem Lett, 9, 2018
6YWA
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BU of 6ywa by Molmil
Human REF STING in complex with 3',3'-c-[2'FdAMP-2'FdAM(PS)]
分子名称: 3',3'-c-[2'FdAMP-2'FdAM(PS)], GLYCEROL, Stimulator of interferon genes protein
著者Boura, E, Smola, M.
登録日2020-04-29
公開日2021-05-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.311 Å)
主引用文献Human REF STING in complex with 3',3'-c-[2'FdAMP-2'FdAM(PS)]
To Be Published
6YWB
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BU of 6ywb by Molmil
Human wtSTING in complex with 3',3'-c-[2'FdAMP-2'FdAM(PS)]
分子名称: 3',3'-c-[2'FdAMP-2'FdAM(PS)], Stimulator of interferon protein
著者Boura, E, Smola, M.
登録日2020-04-29
公開日2021-05-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.503 Å)
主引用文献Human wtSTING in complex with 3',3'-c-[2'FdAMP-2'FdAM(PS)]
To Be Published
8CEO
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BU of 8ceo by Molmil
Yeast RNA polymerase II transcription pre-initiation complex with core Mediator and the +1 nucleosome
分子名称: DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ...
著者Wang, H, Cramer, P.
登録日2023-02-02
公開日2023-03-08
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Yeast PIC-Mediator structure with RNA polymerase II C-terminal domain.
Proc.Natl.Acad.Sci.USA, 120, 2023
6ZPP
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BU of 6zpp by Molmil
g7941: a virulence factor from Drechmaria coniospora
分子名称: CHLORIDE ION, virulence factor
著者Leone, P, Roussel, A, Zimberger, C.
登録日2020-07-09
公開日2022-01-19
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of a virulence factor from Drechmaria coniospora, a C. elegans pathogen
To Be Published
8CEN
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BU of 8cen by Molmil
Yeast RNA polymerase II transcription pre-initiation complex with core Mediator
分子名称: DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ...
著者Wang, H, Schilbach, S, Cramer, P.
登録日2023-02-02
公開日2023-03-22
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Yeast PIC-Mediator structure with RNA polymerase II C-terminal domain.
Proc.Natl.Acad.Sci.USA, 120, 2023
8D1P
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BU of 8d1p by Molmil
Crystal structure of Plasmodium falciparum GRP78-NBD in complex with 7-Deaza-2'-C-methyladenosine
分子名称: 7-(2-C-methyl-beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Chaperone DnaK, SULFATE ION
著者Mrozek, A, Chen, Y, Antoshchenko, T, Park, H.W.
登録日2022-05-27
公開日2023-05-31
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献A non-traditional crystal-based compound screening method targeting the ATP binding site of Plasmodium falciparum GRP78 for identification of novel nucleoside analogues.
Front Mol Biosci, 9, 2022
7RKI
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BU of 7rki by Molmil
Griffithsin-S10Y/S42Y/S88Y
分子名称: Griffithsin, alpha-D-mannopyranose
著者Sun, J.D, Zhao, G.X.
登録日2021-07-22
公開日2022-05-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献C 3 -Symmetric Aromatic Core of Griffithsin Is Essential for Potent Anti-HIV Activity.
Acs Chem.Biol., 17, 2022
6P2E
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BU of 6p2e by Molmil
Structure of Aedes aegypti OBP22 in the complex with benzaldehyde
分子名称: BENZOIC ACID, GLYCEROL, OBP22, ...
著者Jones, D.N, Murphy, E.
登録日2019-05-21
公開日2019-07-31
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Aedes aegypti Odorant Binding Protein 22 selectively binds fatty acids through a conformational change in its C-terminal tail.
Sci Rep, 10, 2020
7NNA
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BU of 7nna by Molmil
Toxin Import Through the Antibiotic Efflux Channel TolC
分子名称: Klebicin C activity
著者Lowe, E.D, Kleanthous, C, Housden, N.G.
登録日2021-02-24
公開日2021-07-07
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献Toxin import through the antibiotic efflux channel TolC.
Nat Commun, 12, 2021
7Q24
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BU of 7q24 by Molmil
Crystal structure of Angiotensin-1 converting enzyme N-domain in complex with dual ACE/NEP inhibitor AD011
分子名称: (2~{S})-2-[[(2~{S})-1-[[(2~{S})-3-(1~{H}-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-phenyl-butanoic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Cozier, G.E, Acharya, K.R.
登録日2021-10-23
公開日2022-02-16
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Probing the Requirements for Dual Angiotensin-Converting Enzyme C-Domain Selective/Neprilysin Inhibition.
J.Med.Chem., 65, 2022
7Q26
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BU of 7q26 by Molmil
Crystal structure of Angiotensin-1 converting enzyme N-domain in complex with dual ACE/NEP inhibitor AD013
分子名称: (2~{S},5~{R})-5-(4-methylphenyl)-1-[2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl]amino]ethanoyl]pyrrolidine-2-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Cozier, G.E, Acharya, K.R.
登録日2021-10-23
公開日2022-02-16
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Probing the Requirements for Dual Angiotensin-Converting Enzyme C-Domain Selective/Neprilysin Inhibition.
J.Med.Chem., 65, 2022
7Q25
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BU of 7q25 by Molmil
Crystal structure of Angiotensin-1 converting enzyme N-domain in complex with dual ACE/NEP inhibitor AD012
分子名称: (2~{S})-2-[[(2~{S})-1-[[(2~{S})-3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-phenyl-butanoic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Cozier, G.E, Acharya, K.R.
登録日2021-10-23
公開日2022-02-16
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Probing the Requirements for Dual Angiotensin-Converting Enzyme C-Domain Selective/Neprilysin Inhibition.
J.Med.Chem., 65, 2022
6XCX
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BU of 6xcx by Molmil
Nitric Oxide Synthase from Bacillus subtilis in complex with N2-((3-((2-aminoquinolin-7-yl)methoxy)phenoxy)methyl)pyridine-2,6-diamine
分子名称: 7-{[3-(2-{[(6-aminopyridin-2-yl)methyl]amino}ethoxy)phenoxy]methyl}quinolin-2-amine, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Lewis, M.C, Poulos, T.L.
登録日2020-06-09
公開日2021-06-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2520268 Å)
主引用文献Selective Anti-MRSA inhibitors targeting Nitric Oxide Synthase
To Be Published
7OJR
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BU of 7ojr by Molmil
Bacillus subtilis phosphoglucomutase GlmM (phosphate bound)
分子名称: PHOSPHATE ION, Phosphoglucosamine mutase
著者Pathania, M, Grundling, A.G, Freemont, P.
登録日2021-05-17
公開日2021-10-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Structural basis for the inhibition of the Bacillus subtilis c-di-AMP cyclase CdaA by the phosphoglucomutase GlmM.
J.Biol.Chem., 297, 2021
6Y3J
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BU of 6y3j by Molmil
RING-DTC domains of Deltex 2, bound to ADP-ribose
分子名称: ADENOSINE-5-DIPHOSPHORIBOSE, Probable E3 ubiquitin-protein ligase DTX2, ZINC ION
著者Gabrielssen, M, Buetow, L, Huang, D.T.
登録日2020-02-18
公開日2020-09-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献DELTEX2 C-terminal domain recognizes and recruits ADP-ribosylated proteins for ubiquitination.
Sci Adv, 6, 2020
6O5E
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BU of 6o5e by Molmil
Crystal structure of the Vitronectin hemopexin-like domain
分子名称: CHLORIDE ION, IMIDAZOLE, NITRATE ION, ...
著者Lechtenberg, B.C, Shin, K, Marassi, F.M.
登録日2019-03-01
公開日2019-09-18
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of human Vitronectin C-terminal domain and interaction withYersinia pestisouter membrane protein Ail.
Sci Adv, 5, 2019
6OTL
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BU of 6otl by Molmil
Structure of Aedes aegypti OBP22 in the complex with benzaldehyde
分子名称: AAEL005772-PA, BENZOIC ACID, HEXATANTALUM DODECABROMIDE, ...
著者Jones, D.N, Murphy, E.
登録日2019-05-03
公開日2019-06-12
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Aedes aegypti Odorant Binding Protein 22 selectively binds fatty acids through a conformational change in its C-terminal tail.
Sci Rep, 10, 2020
6Y22
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BU of 6y22 by Molmil
RING-DTC domains of Deltex 2, Form 1
分子名称: Probable E3 ubiquitin-protein ligase DTX2, ZINC ION
著者Gabrielssen, M, Buetow, L, Huang, D.T.
登録日2020-02-14
公開日2020-09-02
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.069 Å)
主引用文献DELTEX2 C-terminal domain recognizes and recruits ADP-ribosylated proteins for ubiquitination.
Sci Adv, 6, 2020
6NBN
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BU of 6nbn by Molmil
Structure of Aedes aegypti OBP22 in the complex with arachidonic acid
分子名称: AAEL005772-PA, ARACHIDONIC ACID
著者Jones, D.N, Wang, J.
登録日2018-12-07
公開日2018-12-19
最終更新日2024-10-23
実験手法SOLUTION NMR
主引用文献Aedes aegypti Odorant Binding Protein 22 selectively binds fatty acids through a conformational change in its C-terminal tail.
Sci Rep, 10, 2020
7O38
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BU of 7o38 by Molmil
cytochrome C kustc0562 from Kuenenia stuttgartiensis
分子名称: CHLORIDE ION, Cytochrome c-552 Ks_3357, HEME C, ...
著者Bock, J, Akram, M, Barends, T.
登録日2021-04-01
公開日2021-10-13
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Specificity of Small c -Type Cytochromes in Anaerobic Ammonium Oxidation.
Acs Omega, 6, 2021
5L3M
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BU of 5l3m by Molmil
D11 bound [S39_PQ]-IGF-II
分子名称: Insulin-like growth factor II
著者Hexnerova, R.
登録日2016-05-23
公開日2016-08-10
最終更新日2024-10-23
実験手法SOLUTION NMR
主引用文献Probing Receptor Specificity by Sampling the Conformational Space of the Insulin-like Growth Factor II C-domain.
J.Biol.Chem., 291, 2016
8BR4
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BU of 8br4 by Molmil
Structure of GAPDH from Mycobacterium tuberculosis
分子名称: 1,2-ETHANEDIOL, Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Kumar, A, Karthikeyan, S.
登録日2022-11-22
公開日2023-11-01
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (3.29 Å)
主引用文献Stoichiometry of ligand binding and role of C-terminal lysines in Mycobacterium tuberculosis and human GAPDH multifunctionality.
Febs J., 2024

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件を2025-07-09に公開中

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